Qiskit Quantum Seminar

Currently Playing: Qiskit Quantum Seminar: Chemistry Beyond Exact Solutions on a Quantum-Centric Supercomputer

Chemistry Beyond Exact Solutions on a Quantum-Centric Supercomputer Episode 170 A universal quantum computer can be used as a simulator capable of predicting properties of diverse quantum systems. Electronic structure problems in chemistry offer practical use cases around the hundred-qubit mark. This appears promising since current quantum processors have reached these sizes. However, mapping these use cases onto quantum computers yields deep circuits, and for for pre-fault-tolerant quantum processors, the large number of measurements to estimate molecular energies leads to prohibitive runtimes. As a result, realistic chemistry is out of reach of current quantum computers in isolation. A natural question is whether classical distributed computation can relieve quantum processors from parsing all but a core, intrinsically quantum component of a chemistry workflow. In this seminar, I will discuss the incorporation of quantum computations of chemistry in a quantum-centric supercomputing architecture, using up to 6400 nodes of the supercomputer Fugaku to assist a Heron superconducting quantum processor. We simulate the N2 triple bond breaking in a correlation-consistent cc-pVDZ basis set, and the active-space electronic structure of [2Fe–2S] and [4Fe–4S] clusters, using 58, 45 and 77 qubits respectively, with quantum circuits of up to 10570 (3590 2-qubit) quantum gates. Javier is a Research Scientist at IBM. His research focuses on the use of quantum computers and machine learning techniques to simulate quantum many-body systems, and in particular electronic-structure problems. He obtained his PhD in Physics from New York University in 2023, where he developed machine learning techniques to tackle the quantum many-body problem. Prior to that, he obtained his B.S. in Physics from the Universidad Autónoma de Madrid in 2017.